LIPID MAPS

Structure Database (LMSD)

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Common Name

Quercetin 3-glucosyl-(1->4)-rhamnoside-7-rutinoside

Systematic Name

Synonyms

LM ID

LMPK12112252

Formula

C₃₉H₅₀O₂₅

Exact Mass

Calculate m/z

918.264126

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)

QLLBJLPRDZPFEQ-UKWPXNKTSA-N

InChi (Click to copy)

InChI=1S/C39H50O25/c1-10-21(44)25(48)29(52)36(57-10)56-9-19-23(46)27(50)30(53)38(62-19)59-13-6-16(43)20-17(7-13)60-34(12-3-4-14(41)15(42)5-12)35(24(20)47)64-37-32(55)28(51)33(11(2)58-37)63-39-31(54)26(49)22(45)18(8-40)61-39/h3-7,10-11,18-19,21-23,25-33,36-46,48-55H,8-9H2,1-2H3/t10-,11-,18+,19+,21-,22+,23+,25+,26-,27-,28-,29+,30+,31+,32+,33-,36+,37-,38+,39-/m0/s1

SMILES (Click to copy)

C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@H](C)O2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)=CC=2O1